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Cas Database

Name	Ethyl 2-ethylacetoacetate	EINECS	210-151-6
CAS No.	607-97-6	Density	0.979 g/cm³
PSA	43.37000	LogP	1.16470
Solubility	N/A	Melting Point	170 °C (decomp)
Formula	C₈H₁₄O₃	Boiling Point	190 °C at 760 mmHg
Molecular Weight	158.197	Flash Point	75.7 °C
Transport Information	N/A	Appearance	Colorless liquid.
Safety	23-24/25-36-26	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Acetoaceticacid, 2-ethyl-, ethyl ester (6CI,7CI,8CI);2-Ethyl-3-oxobutanoic acid ethylester;2-Ethylacetoacetic acid ethyl ester;Ethyl 2-acetylbutanoate;Ethyl2-acetylbutyrate;Ethyl 2-ethyl-3-ketobutyrate;Ethyl 2-ethyl-3-oxobutanoate;Ethyl 2-ethyl-3-oxobutyrate;Ethyl 2-ethylacetoacetate;Ethyl2-ethylacetylacetate;Ethyl a-acetylbutyrate;Ethyl a-ethylacetoacetate;NSC 53775;	Article Data	84

Ethyl 2-ethylacetoacetate Synthetic route

: 74-96-4
ethyl bromide

: 141-97-9
ethyl acetoacetate

: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at -10 - 10℃; for 2h; Inert atmosphere;	94.9%
With potassium carbonate In ethanol; water at 70℃; for 10h; regioselective reaction;	85.3%
With sodium ethanolate	78%

: 141-97-9
ethyl acetoacetate

: 75-03-6
ethyl iodide

: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With sodium In tetrahydrofuran for 20h; Heating;	87%
Stage #1: ethyl acetoacetate With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.5h; Stage #2: ethyl iodide In tetrahydrofuran at 70℃; for 12h; Further stages.;	74%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In benzene for 3h; Ambient temperature;	50%

: 141-97-9
ethyl acetoacetate

: 75-03-6
ethyl iodide

A: 1619-57-4
ethyl 2,2-diethyl-3-oxobutanoate

B: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With P(MeNCH2CH2)3N In hexane; acetonitrile at 0℃; for 0.5h;	A n/a B 78%
With sodium ethanolate 1.) EtOH, 80 deg C, 2.) EtOH, 80 deg C, 2 h; Yield given. Multistep reaction. Yields of byproduct given;
With aluminum oxide; sodium ethanolate 2.) room temperature, 5 d; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With sodium ethanolate 1.) EtOH, 80 deg C, 2.) EtOH, 80 deg C, 2 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

: 64-67-5
diethyl sulfate

: 141-97-9
ethyl acetoacetate

: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With dimethyl amine at 10 - 15℃;	70%
With sodium ethanolate

: 64-67-5
diethyl sulfate

: enolate potassique de l'acetylacetate d'ethyle

A: 5331-73-7
ethyl (Z)-3-ethoxybut-2-enoate

B: 57592-45-7
ethyl (E)-3-ethoxy-2-butenoate

C: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With polymer-HMPT In tetrahydrofuran at 20℃; for 24h; Yields of byproduct given;	A n/a B 54% C n/a
With copolymere de vinyloxazolidone et de divinylbenzene In tetrahydrofuran at 20℃; for 24h; Yield given. Yields of byproduct given;
With 3-methyl-2-oxo-1,3-oxazolidine In tetrahydrofuran at 20℃; for 24h; Yield given. Yields of byproduct given;
With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran at 20℃; for 24h; Product distribution; further reagents, variation of equivalents of the reagents;

: 74-96-4
ethyl bromide

: 141-97-9
ethyl acetoacetate

A: 998-91-4
ethyl 3-ethoxy-2-butenoate

B: 1619-57-4
ethyl 2,2-diethyl-3-oxobutanoate

C: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With aluminum oxide; sodium ethanolate 2.) room temperature, 5 d; Yields of byproduct given. Title compound not separated from byproducts;	A n/a B n/a C 53%

: 141-97-9
ethyl acetoacetate

: 10504-65-1
diphenylethylsulfonium perchlorate

A: 998-91-4
ethyl 3-ethoxy-2-butenoate

B: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane for 17h; Ambient temperature;	A 10% B 50%

: 247098-17-5
ethyl-α-ethylacetoacetate cyanohydrin

A: 3-amino-3-cyano-2-ethyl-3-methyl-propionic acid ethyl ester

B: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
With hydrogen; nickel In methanol; ammonium hydroxide at 20℃; under 2068.59 - 2327.17 Torr;	A 50% B n/a

: 74-96-4
ethyl bromide

: 17455-13-9
18-crown-6 ether

: 66279-50-3
acetoacetic acid ethyl ester; potassium (Z)-enolate

: 23978-09-8
[2.2.2]cryptande

A: 5331-73-7
ethyl (Z)-3-ethoxybut-2-enoate

B: 57592-45-7
ethyl (E)-3-ethoxy-2-butenoate

C: 1619-57-4
ethyl 2,2-diethyl-3-oxobutanoate

D: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
In 1,2-dimethoxyethane at 40℃; Mechanism; Product distribution;	A 2% B 8% C n/a D n/a

...Expand

: 2-ethyl-3-methyl-pentenedioic acid diethyl ester

A: 144-62-7
oxalic acid

B: 141-97-9
ethyl acetoacetate

C: 607-97-6
ethyl 2-ethyl-3-oxobutanoate

Conditions

Conditions	Yield
bei der Ozonspaltung;

Ethyl 2-ethylacetoacetate Chemical Properties

Molecule structure of Butanoic acid,2-ethyl-3-oxo-, ethyl ester (CAS NO.607-97-6):

IUPAC Name: Ethyl 2-ethyl-3-oxobutanoate
Molecular Weight: 158.19496 g/mol
Molecular Formula: C₈H₁₄O₃
Index of Refraction: 1.419
Molar Refractivity: 40.87 cm³
Molar Volume: 161.5 cm³
Surface Tension: 29.8 dyne/cm
Density: 0.979 g/cm³
Flash Point: 75.7 °C
Enthalpy of Vaporization: 42.62 kJ/mol
Boiling Point: 190 °C at 760 mmHg
Vapour Pressure: 0.554 mmHg at 25 °C
Storage Temp.: 2-8 °C
XLogP3-AA: 1.3
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 5
Exact Mass: 158.094294
MonoIsotopic Mass: 158.094294
Topological Polar Surface Area: 43.4
Heavy Atom Count: 11
Canonical SMILES: CCC(C(=O)C)C(=O)OCC
InChI: InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3
InChIKey: OKANYBNORCUPKZ-UHFFFAOYSA-N
EINECS: 210-151-6
Product Categories: Pharmaceutical Intermediates;Organic acids;API intermediates;C8 to C9;Carbonyl Compounds;Esters

Ethyl 2-ethylacetoacetate Uses

Butanoic acid,2-ethyl-3-oxo-, ethyl ester (CAS NO.607-97-6) is used as intermediates for pharmaceutical.

Ethyl 2-ethylacetoacetate Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-36-26
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 1

Ethyl 2-ethylacetoacetate Specification

Butanoic acid,2-ethyl-3-oxo-, ethyl ester (CAS NO.607-97-6) is also named as AI3-06006 ; Ethyl 2-acetylbutyrate ; Ethyl 2-ethyl-3-ketobutyrate ; Ethyl 2-ethylacetoacetate ; Ethyl alpha-acetylbutyrate ; Ethyl alpha-ethylacetoacetate ; NSC 53775 ; Acetoacetic acid, 2-ethyl-, ethyl ester (8CI) .

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